ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate (CAS 304683-91-8) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ylacetyl)-1H-pyrrole-3-carboxylate
Also Known As: AE-848/12560208, Ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ylacetyl)-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-, ethyl ester (9CI)
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 2.08674 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 513.4335 |
Chemical Identifiers
| CAS Number | 304683-91-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CCCC2)C |
Product Overview
ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate (CAS 304683-91-8), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ylacetyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate
The XLogP value of 2.08674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate is 304683-91-8.
What is the molecular formula of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate is C15H22N2O3.
What is the molecular weight of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate is 278.16 g/mol.
Where can I buy ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,4-dimethyl-5-(1-pyrrolidinylacetyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.